N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine

C12H19NO3 — CID 63556926

IUPACN-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COC1CCOC1
InChIInChI=1S/C12H19NO3/c1-2-13-7-10-3-6-15-12(10)9-16-11-4-5-14-8-11/h3,6,11,13H,2,4-5,7-9H2,1H3
InChIKeyLJOUDBDIHDBZNW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.69
Rot. Bonds6

About N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine

N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine (PubChem CID 63556926) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine
PubChem CID63556926
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COC1CCOC1
InChIInChI=1S/C12H19NO3/c1-2-13-7-10-3-6-15-12(10)9-16-11-4-5-14-8-11/h3,6,11,13H,2,4-5,7-9H2,1H3
InChIKeyLJOUDBDIHDBZNW-UHFFFAOYSA-N
XLogP1.69
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine
CID 63557703
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine
CID 82753990
N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine
CID 62445110
N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63556330
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62445578
N-[[2-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 64738120
N-[[3-[(1-methylpiperidin-4-yl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 55073433
N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 62456091
N-[[3-(oxan-4-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62440336
N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63557924

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine (CID 63556926) is N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine is CCNCc1ccoc1COC1CCOC1.
What is the InChIKey of N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine?
The InChIKey is LJOUDBDIHDBZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-13-7-10-3-6-15-12(10)9-16-11-4-5-14-8-11/h3,6,11,13H,2,4-5,7-9H2,1H3.
What are the key properties of N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine?
N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine has a molecular weight of 225.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 63556926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).